Explore small molecules, screening libraries, and tool compounds for discovery research. Browse by target, pathway, or ligand family to quickly find inhibitors, agonists, and chemical probes, with searchable structure/CAS data and supporting documents (SDS/COA where available).
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Ligand families
24,642Navigate small molecules by ligand family or scaffold to build focused sets and explore structure–activity relationships. This category groups related chemotypes, helping you select analogs, fragments, and tool molecules for discovery research.
ADC-focused building blocks and tools to support antibody–drug conjugate research. Explore payloads, linkers, conjugation reagents, and related small-molecule components (where available) for designing and evaluating ADC constructs.
PROTAC
2,814PROTAC and targeted protein degradation tools for discovery research. Browse degrader-related ligands, linkers, and building blocks (where available) to assemble or screen PROTAC designs, with clear identifiers for efficient selection.
By Signaling Pathways
102,634Explore pathway-focused tool compounds to study and modulate key signaling cascades. Browse small molecules grouped by signaling pathway to support mechanism studies, phenotypic assays, and target validation, with clear identifiers for fast searching.
By Target (DTO)
19,701Find bioactive small molecules organized by protein target (DTO). Quickly locate tool compounds for specific targets and compare identifiers such as structure, CAS, and synonyms—plus supporting documents (where available)—to build screening and validation sets.
By Disease (DOID)
8,782Shop small molecules and tool compounds organized by disease area (DOID). Discover chemical probes, libraries, and related products mapped to therapeutic areas to help assemble compound sets for screening, pathway exploration, and model studies.
Popular Products
- E-4031CAS: 113559-13-0 EC Number: 690-710-2 PubChem CID: 3087190 Formula: C21H27N3O3S.2HCl Molecular Weight: 474.44● In Stock — US Item #: E275345View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride
- SMILES
- CC1=NC(=CC=C1)CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C.Cl.Cl
- InChIKey
- ZQBNWMFBOSOOLX-UHFFFAOYSA-N
- InChI
- 1S/C21H27N3O3S.2ClH/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27;;/h3-9,18,23H,10-15H2,1-2H3;2*1H
- Synonyms
- C21H27N3O3S.2HCl | n-(4-(1-(2-(6-methylpyridin-2-yl)ethyl)piperidine-4-carbonyl)phenyl)methanesulfonamide 2hcl; e-403...
- ITX 3CAS: 347323-96-0 Formula: C22H17N3OS Molecular Weight: 371.45● In Stock — US Item #: I286819View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2E)-2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
- SMILES
- CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C(=O)N4C5=CC=CC=C5N=C4S3
- InChIKey
- SJMYMKPBODEZSH-DEDYPNTBSA-N
- InChI
- 1S/C22H17N3OS/c1-14-12-16(15(2)24(14)17-8-4-3-5-9-17)13-20-21(26)25-19-11-7-6-10-18(19)23-22(25)27-20/h3-13H,1-2H3/b20-13+
- Synonyms
- (E)-2-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]thiazolo[3,2-a]benzimidazol-3(2H)-one | 2-[(2,5-Dimethyl-1-phe...
- BAM7CAS: 331244-89-4 EC Number: 803-524-5 PubChem CID: 3101542 Formula: C21H19N5O2S Molecular Weight: 405.47Solid ≥99%● In Stock — US Item #: B125119View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
- SMILES
- CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C
- InChIKey
- WRLVHADVOGFZOZ-UHFFFAOYSA-N
- InChI
- 1S/C21H19N5O2S/c1-3-28-18-12-8-7-11-16(18)23-24-19-14(2)25-26(20(19)27)21-22-17(13-29-21)15-9-5-4-6-10-15/h4-13,25H,3H2,1-2H3
- Synonyms
- (E)-4-(2-(2-Ethoxyphenyl)hydrazineylidene)-5-methyl-2-(4-phenylthiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one | s7105 | S...
- IWP-2CAS: 686770-61-6 Formula: C22H18N4O2S3 Molecular Weight: 466.6● In Stock — US Item #: I126927View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
- SMILES
- CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4
- InChIKey
- WRKPZSMRWPJJDH-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- BDBM50428028 | HMS3652J22 | IWP-2, >=98% (HPLC) | CID 2155128 | EX-A2264 | N -(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7...
- 5-Fluoro-2-methylanisoleCAS: 95729-22-9 Formula: C8H9FO Molecular Weight: 140.16● In Stock — US Item #: F305032View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-fluoro-2-methoxy-1-methylbenzene
- SMILES
- CC1=C(C=C(C=C1)F)OC
- InChIKey
- CXTIUQIZWCABPV-UHFFFAOYSA-N
- InChI
- 1S/C8H9FO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3
- Synonyms
- 5-Fluoro-2-methylanisole|95729-22-9|4-fluoro-2-methoxy-1-methylbenzene|4-Fluoro-2-methoxytoluene|4-fluoro-2-methoxy-1...
- EMD 386088CAS: 54635-62-0 Formula: C14H15ClN2 Molecular Weight: 246.74● In Stock — US Item #: E275449View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
- SMILES
- CC1=C(C2=C(N1)C=CC(=C2)Cl)C3=CCNCC3
- InChIKey
- BPPGPYJBCVXILI-UHFFFAOYSA-N
- InChI
- 1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
- Synonyms
- BDBM50171235 | EMD-386088 | GTPL8428 | BRD-K47659338-003-01-0 | compound 18 [PMID 16055331] | NCGC00161402-01 | URZ93...
- BAPTA, Tetrasodium saltCAS: 126824-24-6 Formula: C22H20N2Na4O10 Molecular Weight: 564.4Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%● In Stock — US Item #: B131080View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tetrasodium;2-[2-[2-[2-[bis(carboxylatomethyl)amino]phenoxy]ethoxy]-N-(carboxylatomethyl)anilino]acetate
- SMILES
- C1=CC=C(C(=C1)N(CC(=O)[O-])CC(=O)[O-])OCCOC2=CC=CC=C2N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
- InChIKey
- ZWSMLJACYSGFKD-UHFFFAOYSA-J
- InChI
- show more
- Synonyms
- DTXSID00370593 | 1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid tetrasodium salt, >=95% (HPLC) | BAPTA tetr...
- Besifloxacin HCl, Bacterial DNA gyrase inhibitorCAS: 405165-61-9 EC Number: 696-612-6 PubChem CID: 10224595 Formula: C19H21ClFN3O3.HCl Molecular Weight: 430.3Solid ≥99%● In Stock — US Item #: B129410View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
- SMILES
- C1CCN(CC(C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl
- InChIKey
- PMQBICKXAAKXAY-HNCPQSOCSA-N
- InChI
- show more
- Synonyms
- CCG-221259 | 1398566-43-2 | D08872 | DTXSID30304068 | A848253 | AKOS025401618 | Besifloxacin hydrochloride [USAN] | B...
- Dynapyrazole ACAS: 2226517-75-3 Formula: C20H12ClIN4O Molecular Weight: 486.7● In Stock — US Item #: D286580View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[1-(4-chlorophenyl)cyclopropyl]-7-iodo-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile
- SMILES
- C1CC1(C2=CC=C(C=C2)Cl)C3=NN4C5=C(C=C(C=C5)I)C(=O)NC4=C3C#N
- InChIKey
- VABPBCMFKJDOHP-UHFFFAOYSA-N
- InChI
- 1S/C20H12ClIN4O/c21-12-3-1-11(2-4-12)20(7-8-20)17-15(10-23)18-24-19(27)14-9-13(22)5-6-16(14)26(18)25-17/h1-6,9H,7-8H2,(H,24,27)
- Synonyms
- 2-[1-(4-Chlorophenyl)cyclopropyl]-4,5-dihydro-7-iodo-5-oxopyrazolo[1,5-a]quinazoline-3-carbonitrile
- IT 901CAS: 1584121-99-2 Formula: C17H14N2O4S Molecular Weight: 342.37◐ .Made to order · 8–12 wks Item #: I287433View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[(2,4-dimethoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
- SMILES
- COC1=CC(=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)NC3=O)OC
- InChIKey
- JHOPCCOYRKEHQU-UHFFFAOYSA-N
- InChI
- 1S/C17H14N2O4S/c1-22-13-8-14(23-2)11(9-5-3-4-6-10(9)13)7-12-15(20)18-17(24)19-16(12)21/h3-8H,1-2H3,(H2,18,19,20,21,24)
- Synonyms
- 5-[(2,4-Dimethoxy-1-naphthalenyl)methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione
- E-64cCAS: 76684-89-4 Formula: C15H26N2O5 Molecular Weight: 314.38● In Stock — US Item #: E124386View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
- SMILES
- CC(C)CCNC(=O)C(CC(C)C)NC(=O)C1C(O1)C(=O)O
- InChIKey
- SCMSYZJDIQPSDI-SRVKXCTJSA-N
- InChI
- 1S/C15H26N2O5/c1-8(2)5-6-16-13(18)10(7-9(3)4)17-14(19)11-12(22-11)15(20)21/h8-12H,5-7H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11-,12-/m0/s1
- Synonyms
- Alcohol, Benzyl | e-64c | E-64-c | BRN 6688621 | SCHEMBL3281530 | CCG-207845 | HO-tES-Leu-NH-CH2-CH2CH(CH3)2 | HY-100...
- IWR-1CAS: 1127442-82-3 Formula: C25H19N3O3 Molecular Weight: 409.44● In Stock — US Item #: I129780View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinolin-8-ylbenzamide
- SMILES
- C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6
- InChIKey
- ZGSXEXBYLJIOGF-ALFLXDJESA-N
- InChI
- show more
- Synonyms
- IWR1 | 4-(1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)-N-8-quinolinyl-Benzamide | rel-4-[(3aR,4S,7...
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Frequently Asked Questions
What does the By Target/Pathway/Disease listing cover?
It groups compounds associated with targets in By Target/Pathway/Disease, organised so you can move from the pathway to an individual target and then to a specific chemotype. Each entry carries structure, CAS number, and reported activity.
How is By Target/Pathway/Disease organised?
By Target/Pathway/Disease is broken down into Compound Libraries, PROTACs, molecular glues and other degraders and Antibody-drug Conjugates(ADC). Compounds acting on more than one node appear under each relevant target.
How do I choose compounds for By Target/Pathway/Disease research?
For By Target/Pathway/Disease, pick a well-characterised reference compound for the node you want to perturb, and pair it with a structurally unrelated compound hitting the same target — that is the cleanest way to separate pathway effects from off-target ones. Check potency, selectivity, and cell permeability against your assay format. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
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Search By Target/Pathway/Disease by compound name, CAS number, or SMILES, or drill down through the target listing. Unlisted compounds and bulk quantities: [email protected]. We supply verified businesses, research institutions, universities, and government agencies.